SCHEMBL1447655

SCHEMBL1447655

Cc1ncc(-c2nc(Nc3ccc(C(=O)N4CCN(C)CC4)c(F)c3)ncc2F)n1C(C)C

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.80
CDK1 P06493 9/20 0.80
KCNH2 Q12809 9/20 0.73
CDK4 P11802 1/20 0.57
CDKL1 Q00532 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1447613 0.97 CDK2 (0.81) CDK2CDK1KCNH2CDK4CDKL1
SCHEMBL1447239 0.95 CDK2 (0.82) CDK2CDK1KCNH2
SCHEMBL12861895 0.93 CDK2 (0.76) CDK2CDK1KCNH2
SCHEMBL1447591 0.92 CDK2 (0.84) CDK2CDK1KCNH2
Hydrochloric Acid SCHEMBL1156064 0.92 CDK2 (0.75) CDK2CDK1KCNH2
SCHEMBL4593410 0.91 CDK2 (0.74) CDK2CDK1KCNH2
Hydrochloric Acid SCHEMBL1155864 0.90 CDK2 (0.73) CDK2CDK1KCNH2
SCHEMBL12861890 0.90 CDK2 (0.73) CDK2CDK1KCNH2
SCHEMBL12861893 0.90 CDK2 (0.73) CDK2CDK1KCNH2
Hydrochloric Acid SCHEMBL1156470 0.90 CDK2 (0.72) CDK2CDK1KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2301928-A1 Imidazolyl-pyrimidine compounds for use in the treatment of proliferative disorders AstraZeneca AB (SE) 2011-03-30 EP disclosed